==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-MAY-03 1PCM . COMPND 2 MOLECULE: PHOSPHOMANNOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.REGNI,P.A.TIPTON,L.J.BEAMER . 455 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 0 2 1 3 1 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 X L 0 0 67 0, 0.0 2,-0.1 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 139.6 -50.2 8.1 9.1 2 10 X P > - 0 0 47 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.404 360.0-141.7 -70.3 140.9 -49.5 6.6 12.5 3 11 X A G > S+ 0 0 58 1,-0.2 3,-1.3 2,-0.1 124,-0.1 0.745 90.7 75.6 -70.8 -25.1 -46.3 4.6 12.9 4 12 X S G 3 S+ 0 0 86 1,-0.3 -1,-0.2 7,-0.0 8,-0.1 0.733 85.9 61.0 -67.8 -22.0 -47.9 2.0 15.2 5 13 X I G < S+ 0 0 0 -3,-0.7 7,-2.1 13,-0.1 2,-1.2 0.682 83.9 85.0 -79.3 -15.9 -49.8 0.2 12.3 6 14 X F B < +A 11 0A 9 -3,-1.3 5,-0.2 -4,-0.2 -1,-0.1 -0.733 68.6 173.0 -88.2 94.5 -46.5 -0.7 10.5 7 15 X R - 0 0 45 3,-1.8 116,-0.1 -2,-1.2 410,-0.1 -0.295 45.7 -95.0-100.3-179.3 -45.6 -3.9 12.3 8 16 X A S S+ 0 0 13 408,-0.7 112,-2.9 1,-0.2 115,-0.2 0.888 118.7 23.3 -64.2 -41.8 -42.9 -6.6 11.9 9 17 X Y S S- 0 0 19 407,-0.4 2,-0.2 110,-0.2 -1,-0.2 0.724 130.8 -31.0 -99.7 -26.1 -45.0 -9.0 9.8 10 18 X D S S- 0 0 2 100,-0.1 -3,-1.8 -5,-0.1 2,-0.4 -0.880 73.2 -70.7-170.1-172.3 -47.7 -6.9 8.2 11 19 X I E +AB 6 109A 0 98,-2.6 98,-1.9 -2,-0.2 2,-0.3 -0.909 48.5 166.9-106.9 137.9 -49.8 -3.7 8.7 12 20 X R E + B 0 108A 12 -7,-2.1 2,-0.3 -2,-0.4 96,-0.2 -0.962 3.1 148.3-155.4 132.0 -52.6 -3.7 11.3 13 21 X G E - B 0 107A 5 94,-2.7 94,-2.1 -2,-0.3 2,-0.5 -0.858 46.1 -93.0-149.3-178.4 -54.7 -1.0 12.8 14 22 X V E >>> - B 0 106A 36 -2,-0.3 5,-2.0 92,-0.2 3,-1.5 -0.940 43.1-119.6-108.7 123.2 -58.2 -0.2 14.3 15 23 X V B 345S+h 19 0B 29 90,-3.1 5,-0.2 -2,-0.5 3,-0.1 -0.392 99.0 20.3 -68.6 136.4 -60.7 1.3 11.8 16 24 X G T 345S+ 0 0 68 3,-1.4 -1,-0.3 1,-0.2 4,-0.1 -0.009 131.6 46.9 92.9 -27.9 -61.9 4.7 12.7 17 25 X D T <45S- 0 0 118 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.716 129.6 -1.3-108.4 -88.0 -58.8 5.2 14.9 18 26 X T T <5S+ 0 0 31 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.538 128.9 53.0 -91.3 -5.3 -55.4 4.3 13.5 19 27 X L B < +h 15 0B 0 -5,-2.0 -3,-1.4 -18,-0.1 -2,-0.2 -0.914 65.8 164.8-136.0 106.9 -56.6 3.0 10.1 20 28 X T > - 0 0 56 -2,-0.4 4,-1.9 -5,-0.2 5,-0.1 -0.638 51.9 -99.1-109.6 173.4 -58.8 5.2 7.9 21 29 X A H > S+ 0 0 25 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.864 123.3 52.7 -55.2 -43.7 -59.9 5.1 4.3 22 30 X E H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 107.1 52.2 -63.6 -40.6 -57.2 7.8 3.4 23 31 X T H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 107.3 52.6 -60.9 -40.0 -54.5 5.7 5.1 24 32 X A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.888 107.9 52.4 -64.0 -38.5 -55.6 2.7 3.0 25 33 X Y H X S+ 0 0 32 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.950 112.2 43.6 -59.5 -51.0 -55.3 4.8 -0.2 26 34 X W H X S+ 0 0 93 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.836 110.6 54.5 -70.3 -32.4 -51.7 5.9 0.7 27 35 X I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 108.4 51.5 -63.8 -41.8 -50.7 2.4 1.7 28 36 X G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 108.6 50.5 -56.6 -44.7 -52.0 1.3 -1.8 29 37 X R H X S+ 0 0 29 -4,-2.0 4,-1.9 2,-0.2 107,-0.4 0.909 111.4 48.3 -62.0 -40.8 -49.8 4.0 -3.4 30 38 X A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 112.7 46.7 -66.7 -45.4 -46.7 2.8 -1.4 31 39 X I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.890 112.2 50.6 -64.6 -41.5 -47.2 -0.9 -2.2 32 40 X G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.895 110.7 49.9 -63.2 -39.2 -47.8 -0.1 -5.9 33 41 X S H X S+ 0 0 4 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.904 112.4 46.5 -65.9 -43.7 -44.6 2.0 -6.0 34 42 X E H X S+ 0 0 37 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.896 111.6 51.8 -66.4 -40.3 -42.6 -0.7 -4.4 35 43 X S H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.7 0.941 111.4 46.8 -60.2 -48.6 -44.0 -3.4 -6.7 36 44 X L H ><5S+ 0 0 59 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.870 106.3 58.4 -61.4 -35.7 -43.1 -1.2 -9.8 37 45 X A H 3<5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.1 49.1 -67.2 -24.2 -39.6 -0.6 -8.3 38 46 X R T <<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.247 126.7-102.5 -95.9 10.1 -39.2 -4.4 -8.4 39 47 X G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.632 84.8 122.3 85.4 17.7 -40.5 -4.6 -12.0 40 48 X E < + 0 0 28 -5,-2.8 -2,-0.1 -6,-0.2 -1,-0.1 -0.853 25.3 166.0-120.8 96.4 -44.0 -5.9 -11.2 41 49 X P + 0 0 40 0, 0.0 29,-2.5 0, 0.0 2,-0.5 0.635 59.3 86.8 -78.3 -12.7 -46.9 -3.8 -12.4 42 50 X C E +c 70 0A 19 27,-0.2 51,-1.1 -7,-0.1 2,-0.4 -0.812 53.5 172.4-102.2 123.5 -49.5 -6.6 -11.7 43 51 X V E -cd 71 93A 1 27,-1.9 29,-2.2 -2,-0.5 51,-0.3 -0.992 22.0-145.7-134.1 125.0 -51.0 -6.8 -8.2 44 52 X A E -cd 72 94A 3 49,-2.3 51,-2.5 -2,-0.4 2,-0.4 -0.651 17.0-160.9 -85.2 146.3 -53.8 -9.1 -6.9 45 53 X V E +cd 73 95A 0 27,-2.5 29,-2.3 -2,-0.3 30,-0.4 -0.997 15.3 164.4-131.8 132.3 -56.1 -7.7 -4.2 46 54 X G E - d 0 96A 0 49,-2.2 51,-2.8 -2,-0.4 2,-0.3 -0.897 14.6-158.7-136.2 165.4 -58.4 -9.6 -1.8 47 55 X R E -cd 76 97A 56 28,-1.8 30,-2.3 -2,-0.3 51,-0.2 -0.977 14.4-127.7-141.3 158.0 -60.2 -8.9 1.4 48 56 X D - 0 0 2 49,-1.9 188,-0.1 -2,-0.3 152,-0.1 -0.019 45.2 -83.5 -87.4-162.2 -61.7 -10.9 4.2 49 57 X G S S+ 0 0 14 186,-0.3 151,-0.5 27,-0.1 49,-0.1 0.091 77.4 134.3 -96.5 22.6 -65.3 -10.8 5.6 50 58 X R > - 0 0 4 1,-0.1 3,-1.3 149,-0.1 151,-0.1 -0.300 66.1-118.6 -75.0 155.8 -64.8 -7.8 7.9 51 59 X L T 3 S+ 0 0 95 149,-0.3 4,-0.3 53,-0.3 -1,-0.1 0.838 114.9 52.0 -62.2 -35.6 -67.3 -4.9 8.1 52 60 X S T 3> S+ 0 0 14 52,-0.4 4,-2.2 54,-0.2 5,-0.3 0.469 83.7 97.9 -80.7 -5.3 -64.7 -2.4 7.0 53 61 X G H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.909 80.9 45.1 -48.4 -62.8 -63.7 -4.5 3.9 54 62 X P H > S+ 0 0 72 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.912 115.7 47.1 -52.3 -46.0 -65.7 -2.8 1.2 55 63 X E H > S+ 0 0 118 -4,-0.3 4,-1.0 1,-0.2 3,-0.2 0.978 119.1 37.5 -62.7 -55.0 -64.7 0.8 2.3 56 64 X L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.839 110.3 59.7 -70.7 -34.1 -61.0 0.2 2.7 57 65 X V H X S+ 0 0 13 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.866 101.1 54.9 -66.1 -35.7 -60.5 -2.2 -0.3 58 66 X K H X S+ 0 0 51 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.900 111.2 45.2 -60.4 -40.9 -61.7 0.4 -2.8 59 67 X Q H X S+ 0 0 68 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.877 111.5 51.8 -71.5 -41.9 -59.1 2.9 -1.5 60 68 X L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.932 112.1 47.0 -56.6 -49.3 -56.4 0.3 -1.5 61 69 X I H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.890 111.1 51.5 -62.0 -41.4 -57.2 -0.6 -5.1 62 70 X Q H X S+ 0 0 90 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.897 107.1 53.2 -65.8 -40.9 -57.3 3.1 -6.1 63 71 X G H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.917 111.7 46.1 -56.9 -45.8 -53.9 3.7 -4.6 64 72 X L H ><>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 3,-1.6 0.933 113.1 48.4 -63.6 -45.9 -52.5 0.8 -6.6 65 73 X V H ><5S+ 0 0 17 -4,-2.8 75,-2.3 1,-0.3 3,-1.5 0.857 103.1 62.2 -68.3 -29.3 -54.1 2.0 -9.8 66 74 X D T 3<5S+ 0 0 50 -4,-2.4 72,-1.7 1,-0.3 -1,-0.3 0.542 99.7 56.0 -72.1 -8.6 -52.9 5.6 -9.3 67 75 X C B < 5S-i 138 0C 5 -3,-1.6 -1,-0.3 -4,-0.3 70,-0.3 0.577 126.6-101.6 -85.9 -16.8 -49.3 4.2 -9.5 68 76 X G T < 5S+ 0 0 25 -3,-1.5 -3,-0.2 70,-0.6 71,-0.2 0.515 71.7 154.1 99.2 13.8 -50.1 2.7 -12.9 69 77 X C < - 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